Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 13/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | AR | P10275 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 8/20 | 0.42 |
| ▸ | KDM1A | O60341 | 5/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28982646 | 1.00 | TSHR (0.43) | TSHRMAOBCYP19A1HSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL3824895 | 0.98 | MAOB (0.44) | TSHRMAOBCYP19A1HSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL3830263 | 0.98 | MAOB (0.44) | TSHRMAOBCYP19A1HSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL3814923 | 0.98 | MAOB (0.44) | TSHRMAOBCYP19A1HSD17B10KDM4E | |
| SCHEMBL13039624 | 0.80 | TSHR (0.46) | TSHRMAOBCYP19A1HSD17B10KDM4E | |
| SCHEMBL12679302 | 0.78 | TSHR (0.45) | TSHRMAOBCYP19A1HSD17B10KDM4E | |
| SCHEMBL18099888 | 0.77 | TSHR (0.43) | TSHRMAOBCYP19A1HSD17B10KDM4E | |
| SCHEMBL6288848 | 0.77 | TSHR (0.43) | TSHRMAOBCYP19A1HSD17B10KDM4E | |
| SCHEMBL3816926 | 0.77 | MAOB (0.47) | TSHRMAOBCYP19A1HSD17B10KDM4E | |
| SCHEMBL5936332 | 0.77 | TSHR (0.43) | TSHRMAOBCYP19A1HSD17B10KDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115784916-A | Method for preparing 2- (S) -amino-4-aryl butyric acid compound | 杭州励德生物科技有限公司 | 2023-03-14 | — | — | CN | disclosed |